On Target NPY2R_HUMAN 0.30569947/CHEMBL3104179
For the given ligand Aprepitant, we have found in our database that, being scored 0.30569947, the most similar ligand is CHEMBL3104179. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL3104179 (Similar Ligand) |
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| C[C@@H](O[C@H]2OCCN(Cc1nc(=O)[nH][nH]1)[C@H]2c3ccc(F)cc3)c4cc(C(F)(F)F)cc(C(F)(F)F)c4 | CCC(CC)C(=O)Nc1ccc(N2CCN(CC2)C(c3ccccc3)c4ncccn4)c(F)c1 |
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| 00000018 000d0008 40100100 82010e00 090000d1 00104014 00801c00 0a003441 04200900 00180870 0c211020 44008802 00008802 01011000 00261408 0228210c 18008040 02000182 04400000 40300000 00010020 08008030 33000000 00400010 10000400 c0002400 00080000 b4020001 00008306 00068002 c4540084 02002600 | 0000400a 01001000 00100320 16010e00 20000120 00186010 00001000 02003001 04000100 00094ac0 08298004 60809000 04018802 00103000 00020440 000c0184 00040400 02000003 08400000 00000001 40100000 38068600 60802060 02400012 00100000 c0000000 00000000 90000081 08008104 00468003 40040000 20004680 |